6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide

C12H12F3N3O2 — CID 141431058

IUPAC6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]ncc2cc1C(=O)NCCOC(F)(F)F
InChIInChI=1S/C12H12F3N3O2/c1-7-4-10-8(6-17-18-10)5-9(7)11(19)16-2-3-20-12(13,14)15/h4-6H,2-3H2,1H3,(H,16,19)(H,17,18)
InChIKeyMSZQGPQFMWZMDS-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.14
Rot. Bonds4

About 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide

6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide (PubChem CID 141431058) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide
PubChem CID141431058
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]ncc2cc1C(=O)NCCOC(F)(F)F
InChIInChI=1S/C12H12F3N3O2/c1-7-4-10-8(6-17-18-10)5-9(7)11(19)16-2-3-20-12(13,14)15/h4-6H,2-3H2,1H3,(H,16,19)(H,17,18)
InChIKeyMSZQGPQFMWZMDS-UHFFFAOYSA-N
XLogP2.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide (CID 141431058) is 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide is Cc1cc2[nH]ncc2cc1C(=O)NCCOC(F)(F)F.
What is the InChIKey of 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is MSZQGPQFMWZMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-7-4-10-8(6-17-18-10)5-9(7)11(19)16-2-3-20-12(13,14)15/h4-6H,2-3H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide?
6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 141431058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).